3-Methyladipoyl chloride - CAS 44987-62-4
Catalog: |
BB025745 |
Product Name: |
3-Methyladipoyl chloride |
CAS: |
44987-62-4 |
Synonyms: |
3-methylhexanedioyl dichloride |
IUPAC Name: | 3-methylhexanedioyl dichloride |
Description: | 3-Methyladipoyl chloride (CAS# 44987-62-4) is a useful research chemical. |
Molecular Weight: | 197.06 |
Molecular Formula: | C7H10Cl2O2 |
Canonical SMILES: | CC(CCC(=O)Cl)CC(=O)Cl |
InChI: | InChI=1S/C7H10Cl2O2/c1-5(4-7(9)11)2-3-6(8)10/h5H,2-4H2,1H3 |
InChI Key: | YDDUPABDRNKFDU-UHFFFAOYSA-N |
Boiling Point: | 117-119 ℃ / 10 mmHg (lit.) |
Density: | 1.217 g/mL at 25 ℃ (lit.) |
MDL: | MFCD00009675 |
LogP: | 2.32360 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111374940-A | Collagen injection capable of in-situ polymerization and use method thereof | 20200413 |
WO-2020102096-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181113 |
CN-113166065-A | Compounds and compositions for treating conditions associated with NLRP activity | 20181113 |
EP-3880660-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181113 |
CN-103788070-A | DPP-4 inhibitor polymer | 20121026 |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.0057849 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.0057849 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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